Tris(2-methyl-2-phenylpropyl)stannane derivatives, (Neo)3SnX revisited. Comparison of crystal structures of (Neo)3SnX (X=Cl, Br, I, N3, NCS and OAc)

J. A. S. Bomfim, C. A. Filgueiras, Robert Alan Howie, Janet Mabel Scott Skakle, J. L. Wardell, S. M. S. V. Wardell

Research output: Contribution to journalArticle

17 Citations (Scopus)

Abstract

The H-1,C-13 and Sn-119 NMR and far-IR spectra of tris(neophyl)stannanes, (PhCMe2CH2)(3)SnX, (Neo)(3)SnX, [1: X = F, Cl, Br, I, N-3, NCS, OSn(Neo)(3) and OAc], and the crystal structures of 1 (X = Br, I, N-3, NCS and OAc) are reported. The compounds 1 (X = B-r,B- I, N-3 and NCS) and the previously reported 1 (X = Cl) all contain four-coordinate tin centers, with distorted tetrahedral geometries in the solid state. In contrast, 1 (X = OAc) is five-coordinate due to the acetate group acting as a chelating ligand. With the exception of 1 (X = Cl), all the compounds have entirely molecular Structures With only van der Waals forces controlling the packing of the molecules. The molecules in 1 (X = Cl), with threefold axial symmetry. are packed head to tail in rows with weak C-H Cl-. . . intermolecular contacts. (C) 2002 Elsevier Science Ltd. All rights reserved.

Original languageEnglish
Pages (from-to)1667-1676
Number of pages9
JournalPolyhedron
Volume21
DOIs
Publication statusPublished - 2002

Keywords

  • organotin
  • crystal structures
  • halides
  • N-thiocyanate
  • azide
  • acetate
  • MOLECULAR-STRUCTURES
  • FENBUTATIN OXIDE
  • ORGANOTIN CARBOXYLATES
  • TETRANYCHUS-URTICAE
  • ISOTHIOCYANATE
  • TRIPHENYLTIN
  • PERFORMANCE
  • RESISTANCE
  • ACARICIDES
  • CHEMISTRY

Cite this

Tris(2-methyl-2-phenylpropyl)stannane derivatives, (Neo)3SnX revisited. Comparison of crystal structures of (Neo)3SnX (X=Cl, Br, I, N3, NCS and OAc). / Bomfim, J. A. S.; Filgueiras, C. A.; Howie, Robert Alan; Skakle, Janet Mabel Scott; Wardell, J. L.; Wardell, S. M. S. V.

In: Polyhedron, Vol. 21, 2002, p. 1667-1676.

Research output: Contribution to journalArticle

Bomfim, J. A. S. ; Filgueiras, C. A. ; Howie, Robert Alan ; Skakle, Janet Mabel Scott ; Wardell, J. L. ; Wardell, S. M. S. V. / Tris(2-methyl-2-phenylpropyl)stannane derivatives, (Neo)3SnX revisited. Comparison of crystal structures of (Neo)3SnX (X=Cl, Br, I, N3, NCS and OAc). In: Polyhedron. 2002 ; Vol. 21. pp. 1667-1676.
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abstract = "The H-1,C-13 and Sn-119 NMR and far-IR spectra of tris(neophyl)stannanes, (PhCMe2CH2)(3)SnX, (Neo)(3)SnX, [1: X = F, Cl, Br, I, N-3, NCS, OSn(Neo)(3) and OAc], and the crystal structures of 1 (X = Br, I, N-3, NCS and OAc) are reported. The compounds 1 (X = B-r,B- I, N-3 and NCS) and the previously reported 1 (X = Cl) all contain four-coordinate tin centers, with distorted tetrahedral geometries in the solid state. In contrast, 1 (X = OAc) is five-coordinate due to the acetate group acting as a chelating ligand. With the exception of 1 (X = Cl), all the compounds have entirely molecular Structures With only van der Waals forces controlling the packing of the molecules. The molecules in 1 (X = Cl), with threefold axial symmetry. are packed head to tail in rows with weak C-H Cl-. . . intermolecular contacts. (C) 2002 Elsevier Science Ltd. All rights reserved.",
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T1 - Tris(2-methyl-2-phenylpropyl)stannane derivatives, (Neo)3SnX revisited. Comparison of crystal structures of (Neo)3SnX (X=Cl, Br, I, N3, NCS and OAc)

AU - Bomfim, J. A. S.

AU - Filgueiras, C. A.

AU - Howie, Robert Alan

AU - Skakle, Janet Mabel Scott

AU - Wardell, J. L.

AU - Wardell, S. M. S. V.

PY - 2002

Y1 - 2002

N2 - The H-1,C-13 and Sn-119 NMR and far-IR spectra of tris(neophyl)stannanes, (PhCMe2CH2)(3)SnX, (Neo)(3)SnX, [1: X = F, Cl, Br, I, N-3, NCS, OSn(Neo)(3) and OAc], and the crystal structures of 1 (X = Br, I, N-3, NCS and OAc) are reported. The compounds 1 (X = B-r,B- I, N-3 and NCS) and the previously reported 1 (X = Cl) all contain four-coordinate tin centers, with distorted tetrahedral geometries in the solid state. In contrast, 1 (X = OAc) is five-coordinate due to the acetate group acting as a chelating ligand. With the exception of 1 (X = Cl), all the compounds have entirely molecular Structures With only van der Waals forces controlling the packing of the molecules. The molecules in 1 (X = Cl), with threefold axial symmetry. are packed head to tail in rows with weak C-H Cl-. . . intermolecular contacts. (C) 2002 Elsevier Science Ltd. All rights reserved.

AB - The H-1,C-13 and Sn-119 NMR and far-IR spectra of tris(neophyl)stannanes, (PhCMe2CH2)(3)SnX, (Neo)(3)SnX, [1: X = F, Cl, Br, I, N-3, NCS, OSn(Neo)(3) and OAc], and the crystal structures of 1 (X = Br, I, N-3, NCS and OAc) are reported. The compounds 1 (X = B-r,B- I, N-3 and NCS) and the previously reported 1 (X = Cl) all contain four-coordinate tin centers, with distorted tetrahedral geometries in the solid state. In contrast, 1 (X = OAc) is five-coordinate due to the acetate group acting as a chelating ligand. With the exception of 1 (X = Cl), all the compounds have entirely molecular Structures With only van der Waals forces controlling the packing of the molecules. The molecules in 1 (X = Cl), with threefold axial symmetry. are packed head to tail in rows with weak C-H Cl-. . . intermolecular contacts. (C) 2002 Elsevier Science Ltd. All rights reserved.

KW - organotin

KW - crystal structures

KW - halides

KW - N-thiocyanate

KW - azide

KW - acetate

KW - MOLECULAR-STRUCTURES

KW - FENBUTATIN OXIDE

KW - ORGANOTIN CARBOXYLATES

KW - TETRANYCHUS-URTICAE

KW - ISOTHIOCYANATE

KW - TRIPHENYLTIN

KW - PERFORMANCE

KW - RESISTANCE

KW - ACARICIDES

KW - CHEMISTRY

U2 - 10.1016/S0277-5387(02)01030-6

DO - 10.1016/S0277-5387(02)01030-6

M3 - Article

VL - 21

SP - 1667

EP - 1676

JO - Polyhedron

JF - Polyhedron

SN - 0277-5387

ER -